SCHEMBL4022771

SCHEMBL4022771

COC(=O)c1cc2c3c([nH]c2cc1Cl)CCCC3

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.48
THRB P10828 2/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 5/20 0.47
TP53 P04637 4/20 0.47
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.43
CASP1 P29466 1/20 0.42
ACHE P22303 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4029984 0.83 GFER (0.50) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL30523171 0.76 MEN1 (0.74) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL2485234 0.76 MAPT (0.61) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL4024926 0.76 MEN1 (0.74) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL11735549 0.75 MAPT (0.49) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL6688391 0.75 MAPT (0.60) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL4025604 0.74 MAPT (0.43) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL4726736 0.74 MAPT (0.46) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL6688877 0.72 MAPT (0.50) MAPTTHRBMEN1KMT2ANPC1
SCHEMBL30571073 0.72 MAPT (0.47) MAPTTHRBMEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed